N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide

C18H27FN2O3 — CID 109397833

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(C)CC2CCCC2O)cc1F
InChIInChI=1S/C18H27FN2O3/c1-20(11-14-5-4-6-16(14)22)12-18(23)21(2)10-13-7-8-17(24-3)15(19)9-13/h7-9,14,16,22H,4-6,10-12H2,1-3H3
InChIKeyXKEASRDLAZOAFG-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.89
Rot. Bonds7

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide (PubChem CID 109397833) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
PubChem CID109397833
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(C)CC2CCCC2O)cc1F
InChIInChI=1S/C18H27FN2O3/c1-20(11-14-5-4-6-16(14)22)12-18(23)21(2)10-13-7-8-17(24-3)15(19)9-13/h7-9,14,16,22H,4-6,10-12H2,1-3H3
InChIKeyXKEASRDLAZOAFG-UHFFFAOYSA-N
XLogP1.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 18087132
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011425
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693
2-[[(4-methoxy-3-nitrophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397985
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide (CID 109397833) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(C)CC2CCCC2O)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is XKEASRDLAZOAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-20(11-14-5-4-6-16(14)22)12-18(23)21(2)10-13-7-8-17(24-3)15(19)9-13/h7-9,14,16,22H,4-6,10-12H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 338.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 109397833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).